2-methyl-N-phenyl-6-(1-phenylethylamino)pyrimidine-4-carboxamide

C20H20N4O — CID 109369164

IUPAC2-methyl-N-phenyl-6-(1-phenylethylamino)pyrimidine-4-carboxamide
SMILESCc1nc(NC(C)c2ccccc2)cc(C(=O)Nc2ccccc2)n1
InChIInChI=1S/C20H20N4O/c1-14(16-9-5-3-6-10-16)21-19-13-18(22-15(2)23-19)20(25)24-17-11-7-4-8-12-17/h3-14H,1-2H3,(H,24,25)(H,21,22,23)
InChIKeyKINLDPWRDFKZNE-UHFFFAOYSA-N
MW332.41 g/mol
LogP4.21
Rot. Bonds5

About 2-methyl-N-phenyl-6-(1-phenylethylamino)pyrimidine-4-carboxamide

2-methyl-N-phenyl-6-(1-phenylethylamino)pyrimidine-4-carboxamide (PubChem CID 109369164) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is 2-methyl-N-phenyl-6-(1-phenylethylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-phenyl-6-(1-phenylethylamino)pyrimidine-4-carboxamide
PubChem CID109369164
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name2-methyl-N-phenyl-6-(1-phenylethylamino)pyrimidine-4-carboxamide
SMILESCc1nc(NC(C)c2ccccc2)cc(C(=O)Nc2ccccc2)n1
InChIInChI=1S/C20H20N4O/c1-14(16-9-5-3-6-10-16)21-19-13-18(22-15(2)23-19)20(25)24-17-11-7-4-8-12-17/h3-14H,1-2H3,(H,24,25)(H,21,22,23)
InChIKeyKINLDPWRDFKZNE-UHFFFAOYSA-N
XLogP4.21
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-2-methyl-6-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109369187
N-(3-acetylphenyl)-2-methyl-6-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109369209
N-(3-fluorophenyl)-2-methyl-6-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109369217
2-methyl-N-phenyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109360462
6-(4-acetamidoanilino)-2-methyl-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109369314
azepan-1-yl-[2-methyl-6-(1-phenylethylamino)pyrimidin-4-yl]methanone
CID 109369163
6-(3-acetamidoanilino)-2-methyl-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109369313
6-(butan-2-ylamino)-2-methyl-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109362412
4-N-tert-butyl-2-methyl-6-N-(1-phenylethyl)pyrimidine-4,6-diamine
CID 112872076
2-methyl-N-phenyl-6-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109371473
6-(3-bromoanilino)-2-methyl-N-phenylpyrimidine-4-carboxamide
CID 112848016
N-(4-bromophenyl)-6-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109347581

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-phenyl-6-(1-phenylethylamino)pyrimidine-4-carboxamide?
The IUPAC name of 2-methyl-N-phenyl-6-(1-phenylethylamino)pyrimidine-4-carboxamide (CID 109369164) is 2-methyl-N-phenyl-6-(1-phenylethylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-methyl-N-phenyl-6-(1-phenylethylamino)pyrimidine-4-carboxamide?
The canonical SMILES for 2-methyl-N-phenyl-6-(1-phenylethylamino)pyrimidine-4-carboxamide is Cc1nc(NC(C)c2ccccc2)cc(C(=O)Nc2ccccc2)n1.
What is the InChIKey of 2-methyl-N-phenyl-6-(1-phenylethylamino)pyrimidine-4-carboxamide?
The InChIKey is KINLDPWRDFKZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-14(16-9-5-3-6-10-16)21-19-13-18(22-15(2)23-19)20(25)24-17-11-7-4-8-12-17/h3-14H,1-2H3,(H,24,25)(H,21,22,23).
What are the key properties of 2-methyl-N-phenyl-6-(1-phenylethylamino)pyrimidine-4-carboxamide?
2-methyl-N-phenyl-6-(1-phenylethylamino)pyrimidine-4-carboxamide has a molecular weight of 332.41 g/mol, XLogP of 4.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-phenyl-6-(1-phenylethylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109369164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).